CID 80073369

Methyl 2-(3,5-dimethoxyphenyl)propanoate

Structural Information

Molecular Formula
C12H16O4
SMILES
CC(C1=CC(=CC(=C1)OC)OC)C(=O)OC
InChI
InChI=1S/C12H16O4/c1-8(12(13)16-4)9-5-10(14-2)7-11(6-9)15-3/h5-8H,1-4H3
InChIKey
BQFXALGXQCIAAU-UHFFFAOYSA-N
Compound name
methyl 2-(3,5-dimethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 147.9
[M+Na]+ 247.094078 155.6
[M-H]- 223.097584 151.9
[M+NH4]+ 242.138683 166.5
[M+K]+ 263.068018 155.6
[M+H-H2O]+ 207.102120 141.8
[M+HCOO]- 269.103061 170.6
[M+CH3COO]- 283.118711 191.0
[M+Na-2H]- 245.079526 150.8
[M]+ 224.10431142 153.5
[M]- 224.10540858 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.